Spis teści

  1. Podsumowanie projektu
  2. Wykorzystane biblioteki
  3. Wczytanie danych
  4. Filtracja danych, usunięcie części danych na podstawie kolumn res_name
  5. Przetworzenie brakujących danych
  6. Podsumowanie zbioru i generacja statystyk
  7. 50 najpopularniejszych wartości klasy res_name
  8. Korelacja między zmiennymi
  9. Określenie liczności każdej klasy res_name
  10. Wykresy liczby atomów i elektronów
  11. 10 klas z największą niezgodnością liczby atomów i 10 klas z największą niezgodnością liczby elektronów
  12. Rozkład wartości wszystkich kolumn
  13. Regresja oszacowana na podstawie miar R^2 i RMSE
  14. Klasyfikator przewidujący wartość atrybutu res_name

1. Podsumowanie projektu

2. Wykorzystane biblioteki

set.seed(42)
library(knitr)
library(ggplot2)
library(caret)
library(ggcorrplot)
library(dplyr)

3. Wczytanie danych

Dane zostają zaczytane, poszczególnym komlumną wyznaczone są typy danych na podstawie wstępnego wczytania próbki danych.

initial <- read.csv(file = "sample_data2.csv", nrows = 1000, sep = ';',  header = TRUE)
classes <- sapply(initial, class)
data <- read.csv("sample_data2.csv", sep = ";", comment.char = "", header = TRUE, na.strings = c('NAN'),blank.lines.skip = TRUE)

4. Filtracja danych, usunięcie części danych na podstawie kolumn res_name

Zbudowany został wektor v_rm który posłużył do usunięcia części danych, odfiltrowanie wartości z tego wektora odbyło się względem kolumny res_name.

v_rm <- c("UNK", "UNX", "UNL", "DUM", "N", "BLOB", "ALA", "ARG", "ASN", "ASP", "CYS", "GLN", "GLU", "GLY", "HIS", "ILE", "LEU", "LYS", "MET", "MSE", "PHE", "PRO", "SEC", "SER", "THR", "TRP", "TYR", "VAL", "DA", "DG", "DT", "DC", "DU", "A", "G", "T", "C", "U", "HOH", "H20", "WAT", "XCC")

data_exclude_some_res_names <- data %>% filter(!is.na(res_name), !is.nan(res_name),!res_name %in% v_rm)

5. Przetworzenie brakujących danych

data_exclude_some_res_names_1 <- data_exclude_some_res_names  %>% select(-skeleton_data)
data_without_missing_val <- data_exclude_some_res_names_1 %>% replace(is.na(.), 0)
data_without_missing_val_distinct <- data_without_missing_val %>% distinct(pdb_code, res_name)

6. Podsumowanie zbioru i generacja statystyk

kable(summary(data_without_missing_val))
blob_coverage res_coverage title pdb_code res_name res_id chain_id blob_volume_coverage blob_volume_coverage_second res_volume_coverage res_volume_coverage_second local_res_atom_count local_res_atom_non_h_count local_res_atom_non_h_occupancy_sum local_res_atom_non_h_electron_sum local_res_atom_non_h_electron_occupancy_sum local_res_atom_C_count local_res_atom_N_count local_res_atom_O_count local_res_atom_S_count dict_atom_non_h_count dict_atom_non_h_electron_sum dict_atom_C_count dict_atom_N_count dict_atom_O_count dict_atom_S_count skeleton_cycle_4 skeleton_diameter skeleton_cycle_6 skeleton_cycle_7 skeleton_closeness_006_008 skeleton_closeness_002_004 skeleton_cycle_3 skeleton_avg_degree skeleton_closeness_004_006 skeleton_closeness_010_012 skeleton_closeness_012_014 skeleton_edges skeleton_radius skeleton_cycle_8_plus skeleton_closeness_020_030 skeleton_deg_5_plus skeleton_closeness_016_018 skeleton_closeness_008_010 skeleton_closeness_018_020 skeleton_average_clustering skeleton_closeness_040_050 skeleton_closeness_014_016 skeleton_center skeleton_closeness_000_002 skeleton_density skeleton_closeness_030_040 skeleton_deg_4 skeleton_deg_0 skeleton_deg_1 skeleton_deg_2 skeleton_deg_3 skeleton_graph_clique_number skeleton_nodes skeleton_cycles skeleton_cycle_5 skeleton_closeness_050_plus skeleton_periphery local_volume local_electrons local_mean local_std local_min local_max local_max_over_std local_skewness local_cut_by_mainchain_volume local_near_cut_count_C local_near_cut_count_other local_near_cut_count_S local_near_cut_count_O local_near_cut_count_N part_00_shape_segments_count part_00_density_segments_count part_00_volume part_00_electrons part_00_mean part_00_std part_00_max part_00_max_over_std part_00_skewness part_00_parts part_00_shape_O3 part_00_shape_O4 part_00_shape_O5 part_00_shape_FL part_00_shape_O3_norm part_00_shape_O4_norm part_00_shape_O5_norm part_00_shape_FL_norm part_00_shape_I1 part_00_shape_I2 part_00_shape_I3 part_00_shape_I4 part_00_shape_I5 part_00_shape_I6 part_00_shape_I1_norm part_00_shape_I2_norm part_00_shape_I3_norm part_00_shape_I4_norm part_00_shape_I5_norm part_00_shape_I6_norm part_00_shape_M000 part_00_shape_CI part_00_shape_E3_E1 part_00_shape_E2_E1 part_00_shape_E3_E2 part_00_shape_sqrt_E1 part_00_shape_sqrt_E2 part_00_shape_sqrt_E3 part_00_density_O3 part_00_density_O4 part_00_density_O5 part_00_density_FL part_00_density_O3_norm part_00_density_O4_norm part_00_density_O5_norm part_00_density_FL_norm part_00_density_I1 part_00_density_I2 part_00_density_I3 part_00_density_I4 part_00_density_I5 part_00_density_I6 part_00_density_I1_norm part_00_density_I2_norm part_00_density_I3_norm part_00_density_I4_norm part_00_density_I5_norm part_00_density_I6_norm part_00_density_M000 part_00_density_CI part_00_density_E3_E1 part_00_density_E2_E1 part_00_density_E3_E2 part_00_density_sqrt_E1 part_00_density_sqrt_E2 part_00_density_sqrt_E3 part_00_shape_Z_7_3 part_00_shape_Z_0_0 part_00_shape_Z_7_0 part_00_shape_Z_7_1 part_00_shape_Z_3_0 part_00_shape_Z_5_2 part_00_shape_Z_6_1 part_00_shape_Z_3_1 part_00_shape_Z_6_0 part_00_shape_Z_2_1 part_00_shape_Z_6_3 part_00_shape_Z_2_0 part_00_shape_Z_6_2 part_00_shape_Z_5_0 part_00_shape_Z_5_1 part_00_shape_Z_4_2 part_00_shape_Z_1_0 part_00_shape_Z_4_1 part_00_shape_Z_7_2 part_00_shape_Z_4_0 part_00_density_Z_7_3 part_00_density_Z_0_0 part_00_density_Z_7_0 part_00_density_Z_7_1 part_00_density_Z_3_0 part_00_density_Z_5_2 part_00_density_Z_6_1 part_00_density_Z_3_1 part_00_density_Z_6_0 part_00_density_Z_2_1 part_00_density_Z_6_3 part_00_density_Z_2_0 part_00_density_Z_6_2 part_00_density_Z_5_0 part_00_density_Z_5_1 part_00_density_Z_4_2 part_00_density_Z_1_0 part_00_density_Z_4_1 part_00_density_Z_7_2 part_00_density_Z_4_0 part_01_shape_segments_count part_01_density_segments_count part_01_volume part_01_electrons part_01_mean part_01_std part_01_max part_01_max_over_std part_01_skewness part_01_parts part_01_shape_O3 part_01_shape_O4 part_01_shape_O5 part_01_shape_FL part_01_shape_O3_norm part_01_shape_O4_norm part_01_shape_O5_norm part_01_shape_FL_norm part_01_shape_I1 part_01_shape_I2 part_01_shape_I3 part_01_shape_I4 part_01_shape_I5 part_01_shape_I6 part_01_shape_I1_norm part_01_shape_I2_norm part_01_shape_I3_norm part_01_shape_I4_norm part_01_shape_I5_norm part_01_shape_I6_norm part_01_shape_M000 part_01_shape_CI part_01_shape_E3_E1 part_01_shape_E2_E1 part_01_shape_E3_E2 part_01_shape_sqrt_E1 part_01_shape_sqrt_E2 part_01_shape_sqrt_E3 part_01_density_O3 part_01_density_O4 part_01_density_O5 part_01_density_FL part_01_density_O3_norm part_01_density_O4_norm part_01_density_O5_norm part_01_density_FL_norm part_01_density_I1 part_01_density_I2 part_01_density_I3 part_01_density_I4 part_01_density_I5 part_01_density_I6 part_01_density_I1_norm part_01_density_I2_norm part_01_density_I3_norm part_01_density_I4_norm part_01_density_I5_norm part_01_density_I6_norm part_01_density_M000 part_01_density_CI part_01_density_E3_E1 part_01_density_E2_E1 part_01_density_E3_E2 part_01_density_sqrt_E1 part_01_density_sqrt_E2 part_01_density_sqrt_E3 part_01_shape_Z_7_3 part_01_shape_Z_0_0 part_01_shape_Z_7_0 part_01_shape_Z_7_1 part_01_shape_Z_3_0 part_01_shape_Z_5_2 part_01_shape_Z_6_1 part_01_shape_Z_3_1 part_01_shape_Z_6_0 part_01_shape_Z_2_1 part_01_shape_Z_6_3 part_01_shape_Z_2_0 part_01_shape_Z_6_2 part_01_shape_Z_5_0 part_01_shape_Z_5_1 part_01_shape_Z_4_2 part_01_shape_Z_1_0 part_01_shape_Z_4_1 part_01_shape_Z_7_2 part_01_shape_Z_4_0 part_01_density_Z_7_3 part_01_density_Z_0_0 part_01_density_Z_7_0 part_01_density_Z_7_1 part_01_density_Z_3_0 part_01_density_Z_5_2 part_01_density_Z_6_1 part_01_density_Z_3_1 part_01_density_Z_6_0 part_01_density_Z_2_1 part_01_density_Z_6_3 part_01_density_Z_2_0 part_01_density_Z_6_2 part_01_density_Z_5_0 part_01_density_Z_5_1 part_01_density_Z_4_2 part_01_density_Z_1_0 part_01_density_Z_4_1 part_01_density_Z_7_2 part_01_density_Z_4_0 part_02_shape_segments_count part_02_density_segments_count part_02_volume part_02_electrons part_02_mean part_02_std part_02_max part_02_max_over_std part_02_skewness part_02_parts part_02_shape_O3 part_02_shape_O4 part_02_shape_O5 part_02_shape_FL part_02_shape_O3_norm part_02_shape_O4_norm part_02_shape_O5_norm part_02_shape_FL_norm part_02_shape_I1 part_02_shape_I2 part_02_shape_I3 part_02_shape_I4 part_02_shape_I5 part_02_shape_I6 part_02_shape_I1_norm part_02_shape_I2_norm part_02_shape_I3_norm part_02_shape_I4_norm part_02_shape_I5_norm part_02_shape_I6_norm part_02_shape_M000 part_02_shape_CI part_02_shape_E3_E1 part_02_shape_E2_E1 part_02_shape_E3_E2 part_02_shape_sqrt_E1 part_02_shape_sqrt_E2 part_02_shape_sqrt_E3 part_02_density_O3 part_02_density_O4 part_02_density_O5 part_02_density_FL part_02_density_O3_norm part_02_density_O4_norm part_02_density_O5_norm part_02_density_FL_norm part_02_density_I1 part_02_density_I2 part_02_density_I3 part_02_density_I4 part_02_density_I5 part_02_density_I6 part_02_density_I1_norm part_02_density_I2_norm part_02_density_I3_norm part_02_density_I4_norm part_02_density_I5_norm part_02_density_I6_norm part_02_density_M000 part_02_density_CI part_02_density_E3_E1 part_02_density_E2_E1 part_02_density_E3_E2 part_02_density_sqrt_E1 part_02_density_sqrt_E2 part_02_density_sqrt_E3 part_02_shape_Z_7_3 part_02_shape_Z_0_0 part_02_shape_Z_7_0 part_02_shape_Z_7_1 part_02_shape_Z_3_0 part_02_shape_Z_5_2 part_02_shape_Z_6_1 part_02_shape_Z_3_1 part_02_shape_Z_6_0 part_02_shape_Z_2_1 part_02_shape_Z_6_3 part_02_shape_Z_2_0 part_02_shape_Z_6_2 part_02_shape_Z_5_0 part_02_shape_Z_5_1 part_02_shape_Z_4_2 part_02_shape_Z_1_0 part_02_shape_Z_4_1 part_02_shape_Z_7_2 part_02_shape_Z_4_0 part_02_density_Z_7_3 part_02_density_Z_0_0 part_02_density_Z_7_0 part_02_density_Z_7_1 part_02_density_Z_3_0 part_02_density_Z_5_2 part_02_density_Z_6_1 part_02_density_Z_3_1 part_02_density_Z_6_0 part_02_density_Z_2_1 part_02_density_Z_6_3 part_02_density_Z_2_0 part_02_density_Z_6_2 part_02_density_Z_5_0 part_02_density_Z_5_1 part_02_density_Z_4_2 part_02_density_Z_1_0 part_02_density_Z_4_1 part_02_density_Z_7_2 part_02_density_Z_4_0 fo_col fc_col weight_col grid_space solvent_radius solvent_opening_radius resolution_max_limit resolution FoFc_mean FoFc_std FoFc_square_std FoFc_min FoFc_max part_step_FoFc_std_min part_step_FoFc_std_max part_step_FoFc_std_step
‘{GOL:A:501:0: 100.0}’: 2 ‘{017:B:201:2: 45.9}’: 1 3th1 3PH 302 A: 6 4n4o : 58 SO4 : 214 Min. : 0.0 A :1068 Min. :0.02837 Min. :0.00000 Min. :0.006154 Min. :0.00000 Min. : 1.00 Min. : 1.00 Min. :-7.38 Min. : 7.0 Min. :-45.91 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. :0.0000 Min. : 0.00 Min. : 0.0 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. :0.0000 Min. : 0.000 Min. : 0.00 Min. : 0.00000 Min. : 0.00000 Min. : 0.000 Min. : 0.00000 Min. : 0.0000 Min. :0.000 Min. : 0.0000 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. : 0.00 Min. : 0.0000 Min. : 0.00 Min. : 0.000 Min. : 0.00 Min. : 0.00 Min. : 0.000 Min. :0.0000000 Min. : 0.000 Min. : 0.000 Min. : 1.000 Min. :0.0000 Min. :0.00000 Min. : 0.000 Min. : 0.0000 Min. :0.0000 Min. : 0.000 Min. : 0.00 Min. : 0.000 Min. :1.000 Min. : 1.00 Min. : 0.000 Min. : 0.0000 Min. : 0.000 Min. : 1 Min. : 97.34 Min. : 0.3611 Min. :0.00194 Min. :0.01680 Min. :0 Min. : 0.1087 Min. : 3.125 Min. :0.02982 Min. : 0.000 Min. : 0.000 Min. :0.00000 Min. :0.0000 Min. : 0.000 Min. : 0.000 Min. : 1.0 Min. : 1.0 Min. : 2.048 Min. : 0.3611 Min. :0.09946 Min. :0.003911 Min. : 0.1087 Min. : 3.125 Min. :0.00297 Min. : 1.000 Min. : 2507 Min. :2.028e+06 Min. :5.290e+08 Min. :1.909e+05 Min. :0.2311 Min. :0.01780 Min. :0.0004538 Min. : 0.000003 Min. :3.031e+04 Min. :2.302e+08 Min. :2.168e+08 Min. :7.791e+04 Min. :8.760e+02 Min. :2.698e+07 Min. : 0.06365 Min. : 0.001080 Min. : 0.00081 Min. :0.000001 Min. :0.000000 Min. : 0.004909 Min. : 256.0 Min. :-36.83657 Min. :0.01306 Min. :0.02143 Min. :0.0328 Min. : 1.948 Min. : 1.234 Min. :1.045 Min. : 474 Min. :6.556e+04 Min. :2.775e+06 Min. :6.632e+03 Min. :0.05486 Min. :0.00097 Min. :0.0000056 Min. : 0.00000 Min. :6.149e+03 Min. :8.129e+06 Min. :9.397e+06 Min. :2.778e+03 Min. :2.090e+02 Min. :1.110e+06 Min. : 0.00494 Min. : 0.0000 Min. : 0.000 Min. : 0.00000 Min. : 0.00000 Min. : 0.0001 Min. : 45.14 Min. :-43.45620 Min. :0.01298 Min. :0.0206 Min. :0.04059 Min. : 1.841 Min. : 1.223 Min. :1.031 Min. : 8.044 Min. : 7.818 Min. : 2.383 Min. : 5.575 Min. : 1.720 Min. : 6.214 Min. : 3.01 Min. : 4.066 Min. : 0.2346 Min. : 6.703 Min. : 6.003 Min. : 4.133 Min. : 4.718 Min. : 1.590 Min. : 5.021 Min. : 6.142 Min. :0.9579 Min. : 4.086 Min. : 7.096 Min. : 0.1017 Min. : 5.981 Min. : 3.283 Min. : 2.147 Min. : 4.493 Min. : 1.258 Min. : 4.702 Min. : 1.747 Min. : 3.024 Min. : 0.2125 Min. : 4.008 Min. : 3.038 Min. : 2.865 Min. : 2.669 Min. : 1.016 Min. : 3.849 Min. : 2.984 Min. :0.9125 Min. : 1.928 Min. : 5.110 Min. : 0.2787 Min. : 0.0 Min. : 0.0 Min. : 0.00 Min. : 0.000 Min. :0.0000 Min. :0.00000 Min. : 0.0000 Min. : 0.000 Min. :0.00000 Min. : 0.000 Min. : 0 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.0000 Min. :0.00000 Min. :0.0000000 Min. : 0.000000 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. : 0.00000 Min. : 0.000000 Min. : 0.0000 Min. : 0.000000 Min. : 0.000000 Min. : 0.00000 Min. : 0.0 Min. :-46.43273 Min. :0.00000 Min. :0.0000 Min. :0.0000 Min. : 0.000 Min. : 0.000 Min. :0.000 Min. : 0 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.0000 Min. :0.00000 Min. :0.000000 Min. : 0.00000 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. : 0.0000 Min. : 0.0000 Min. : 0.000 Min. : 0.00000 Min. : 0.00000 Min. : 0.0000 Min. : 0.0 Min. :-51.40627 Min. :0.00000 Min. :0.0000 Min. :0.0000 Min. : 0.000 Min. : 0.000 Min. :0.000 Min. : 0.00 Min. : 0.00 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. : 0.00 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. : 0.00 Min. : 0.00 Min. : 0.00 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. :0.000 Min. : 0.00 Min. : 0.00 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. : 0.000 Min. : 0.00 Min. : 0.00 Min. :0.000 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. : 0.0 Min. : 0.0 Min. : 0.000 Min. : 0.000 Min. :0.0000 Min. :0.00000 Min. : 0.0000 Min. : 0.000 Min. :0.00000 Min. : 0.0 Min. : 0 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. : 0.0000 Min. :0.00000 Min. :0.0000000 Min. : 0.00000 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. : 0.00000 Min. : 0.0000 Min. : 0.00 Min. : 0.00000 Min. : 0.00000 Min. : 0.0000 Min. : 0.0 Min. :-52.53847 Min. :0.00000 Min. :0.0000 Min. :0.0000 Min. : 0.000 Min. : 0.000 Min. :0.000 Min. : 0 Min. :0.000e+00 Min. :0.000e+00 Min. :-3.000e+00 Min. : 0.0000 Min. :0.00000 Min. :0.0000000 Min. : -0.00013 Min. :0.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. :-1.000e+00 Min. :0.000e+00 Min. :0.000e+00 Min. : 0.0000 Min. : 0.000 Min. : 0.0 Min. : -0.00003 Min. : 0.00000 Min. : 0.000 Min. : 0.0 Min. :-55.31047 Min. :0.00000 Min. :0.0000 Min. :0.0000 Min. : 0.000 Min. : 0.000 Min. :0.000 Min. : 0.00 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. : 0.00 Min. : 0.000 Min. : 0.00 Min. : 0.000 Min. : 0.00 Min. : 0.000 Min. :0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.00 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 Min. :0.000 Min. : 0.000 Min. : 0.000 Min. : 0.000 DELFWT:1995 PHDELWT:1995 Min. :0 Min. :0.2 Min. :1.9 Min. :1.4 Min. :1 Min. :0.8697 Min. :-6.051e-08 Min. :0.03330 Min. :0.001109 Min. :-2.4216 Min. : 0.2261 Min. :2.8 Min. :4.05 Min. :0.5
‘{017:B:201:2: 76.1}’ : 1 ‘{11C:A:367:0: 17.4}’: 1 3th1 3PH 302 B: 6 5gmh : 48 GOL : 118 1st Qu.: 301.0 B : 457 1st Qu.:0.45801 1st Qu.:0.00000 1st Qu.:0.261512 1st Qu.:0.00000 1st Qu.: 4.00 1st Qu.: 4.00 1st Qu.: 3.00 1st Qu.: 36.0 1st Qu.: 30.00 1st Qu.: 0.000 1st Qu.: 0.000 1st Qu.: 1.000 1st Qu.:0.0000 1st Qu.: 3.00 1st Qu.: 30.0 1st Qu.: 0.000 1st Qu.: 0.000 1st Qu.: 1.000 1st Qu.:0.0000 1st Qu.: 0.000 1st Qu.: 2.00 1st Qu.: 0.00000 1st Qu.: 0.00000 1st Qu.: 0.000 1st Qu.: 0.00000 1st Qu.: 0.0000 1st Qu.:1.333 1st Qu.: 0.0000 1st Qu.: 0.000 1st Qu.: 0.000 1st Qu.: 2.00 1st Qu.: 1.00 1st Qu.: 0.0000 1st Qu.: 0.00 1st Qu.: 0.000 1st Qu.: 0.00 1st Qu.: 0.00 1st Qu.: 0.000 1st Qu.:0.0000000 1st Qu.: 0.000 1st Qu.: 0.000 1st Qu.: 1.000 1st Qu.:0.0000 1st Qu.:0.02307 1st Qu.: 0.000 1st Qu.: 0.0000 1st Qu.:0.0000 1st Qu.: 2.000 1st Qu.: 1.00 1st Qu.: 0.000 1st Qu.:2.000 1st Qu.: 3.00 1st Qu.: 0.000 1st Qu.: 0.0000 1st Qu.: 0.000 1st Qu.: 2 1st Qu.: 214.48 1st Qu.: 3.4457 1st Qu.:0.01231 1st Qu.:0.06900 1st Qu.:0 1st Qu.: 0.5668 1st Qu.: 5.266 1st Qu.:0.12169 1st Qu.: 0.000 1st Qu.: 0.000 1st Qu.:0.00000 1st Qu.:0.0000 1st Qu.: 0.000 1st Qu.: 0.000 1st Qu.: 5.0 1st Qu.: 5.0 1st Qu.: 7.020 1st Qu.: 3.4377 1st Qu.:0.36300 1st Qu.:0.063029 1st Qu.: 0.5668 1st Qu.: 5.266 1st Qu.:0.05331 1st Qu.: 1.000 1st Qu.: 28632 1st Qu.:1.953e+08 1st Qu.:3.839e+11 1st Qu.:1.120e+09 1st Qu.:0.2667 1st Qu.:0.02138 1st Qu.:0.0005098 1st Qu.: 0.000606 1st Qu.:1.360e+06 1st Qu.:2.515e+11 1st Qu.:7.600e+11 1st Qu.:5.576e+08 1st Qu.:8.249e+07 1st Qu.:1.835e+10 1st Qu.: 0.09541 1st Qu.: 0.001871 1st Qu.: 0.00284 1st Qu.:0.000274 1st Qu.:0.000035 1st Qu.: 0.010208 1st Qu.: 877.5 1st Qu.: -0.85560 1st Qu.:0.08851 1st Qu.:0.22085 1st Qu.:0.3650 1st Qu.: 4.080 1st Qu.: 2.620 1st Qu.:2.007 1st Qu.: 12946 1st Qu.:3.947e+07 1st Qu.:3.365e+10 1st Qu.:1.565e+08 1st Qu.:0.38890 1st Qu.:0.04490 1st Qu.:0.0014202 1st Qu.: 0.00200 1st Qu.:5.894e+05 1st Qu.:4.961e+10 1st Qu.:1.466e+11 1st Qu.:8.706e+07 1st Qu.:1.784e+07 1st Qu.:3.451e+09 1st Qu.: 0.22331 1st Qu.: 0.0098 1st Qu.: 0.016 1st Qu.: 0.00097 1st Qu.: 0.00017 1st Qu.: 0.0347 1st Qu.: 429.71 1st Qu.: -0.89891 1st Qu.:0.08434 1st Qu.:0.2192 1st Qu.:0.36053 1st Qu.: 3.814 1st Qu.: 2.487 1st Qu.:1.921 1st Qu.: 15.830 1st Qu.:14.474 1st Qu.: 6.475 1st Qu.: 9.838 1st Qu.: 5.976 1st Qu.: 14.585 1st Qu.: 12.37 1st Qu.: 11.465 1st Qu.: 5.7947 1st Qu.: 19.997 1st Qu.: 19.103 1st Qu.: 14.929 1st Qu.: 16.759 1st Qu.: 5.537 1st Qu.: 11.345 1st Qu.: 19.786 1st Qu.:1.2560 1st Qu.: 16.565 1st Qu.: 13.317 1st Qu.: 8.4316 1st Qu.: 10.442 1st Qu.:10.128 1st Qu.: 5.903 1st Qu.: 7.372 1st Qu.: 4.310 1st Qu.: 9.726 1st Qu.: 7.336 1st Qu.: 7.432 1st Qu.: 3.5789 1st Qu.: 14.047 1st Qu.: 11.861 1st Qu.:10.915 1st Qu.: 10.438 1st Qu.: 5.050 1st Qu.: 7.941 1st Qu.: 13.756 1st Qu.:1.2445 1st Qu.: 12.257 1st Qu.: 9.146 1st Qu.: 7.1323 1st Qu.: 3.0 1st Qu.: 3.0 1st Qu.: 4.26 1st Qu.: 2.205 1st Qu.:0.3956 1st Qu.:0.05052 1st Qu.: 0.5668 1st Qu.: 5.266 1st Qu.:0.04181 1st Qu.: 1.000 1st Qu.: 12020 1st Qu.:3.649e+07 1st Qu.:3.192e+10 1st Qu.:9.162e+07 1st Qu.:0.2584 1st Qu.:0.02028 1st Qu.:0.0004839 1st Qu.: 0.000335 1st Qu.:3.980e+05 1st Qu.:2.072e+10 1st Qu.:6.399e+10 1st Qu.:4.379e+07 1st Qu.:4.413e+06 1st Qu.:2.246e+09 1st Qu.: 0.08621 1st Qu.: 0.001602 1st Qu.: 0.0021 1st Qu.: 0.000149 1st Qu.: 0.000015 1st Qu.: 0.00868 1st Qu.: 532.5 1st Qu.: -0.65945 1st Qu.:0.08088 1st Qu.:0.2119 1st Qu.:0.3634 1st Qu.: 3.422 1st Qu.: 2.179 1st Qu.:1.702 1st Qu.: 6082 1st Qu.:9.299e+06 1st Qu.:4.300e+09 1st Qu.:2.155e+07 1st Qu.:0.3560 1st Qu.:0.03813 1st Qu.:0.001134 1st Qu.: 0.00098 1st Qu.:1.872e+05 1st Qu.:4.998e+09 1st Qu.:1.337e+10 1st Qu.:1.053e+07 1st Qu.:1.532e+06 1st Qu.:4.933e+08 1st Qu.: 0.1811 1st Qu.: 0.0067 1st Qu.: 0.010 1st Qu.: 0.00048 1st Qu.: 0.00006 1st Qu.: 0.0255 1st Qu.: 275.6 1st Qu.: -0.70111 1st Qu.:0.07793 1st Qu.:0.2122 1st Qu.:0.3665 1st Qu.: 3.240 1st Qu.: 2.096 1st Qu.:1.659 1st Qu.: 11.96 1st Qu.:11.27 1st Qu.: 6.574 1st Qu.: 8.396 1st Qu.: 4.657 1st Qu.: 10.56 1st Qu.: 9.11 1st Qu.: 8.423 1st Qu.: 4.389 1st Qu.: 14.94 1st Qu.: 13.83 1st Qu.:10.87 1st Qu.: 12.03 1st Qu.: 5.390 1st Qu.: 8.113 1st Qu.: 14.06 1st Qu.:1.286 1st Qu.: 11.42 1st Qu.: 10.25 1st Qu.: 5.694 1st Qu.: 9.106 1st Qu.: 8.112 1st Qu.: 6.238 1st Qu.: 7.373 1st Qu.: 3.955 1st Qu.: 7.858 1st Qu.: 5.831 1st Qu.: 6.155 1st Qu.: 2.879 1st Qu.: 11.15 1st Qu.: 8.892 1st Qu.: 8.578 1st Qu.: 7.64 1st Qu.: 5.118 1st Qu.: 6.55 1st Qu.: 10.02 1st Qu.:1.275 1st Qu.: 8.375 1st Qu.: 8.303 1st Qu.: 4.54 1st Qu.: 2.0 1st Qu.: 2.0 1st Qu.: 2.428 1st Qu.: 1.321 1st Qu.:0.4034 1st Qu.:0.03900 1st Qu.: 0.5468 1st Qu.: 5.266 1st Qu.:0.03102 1st Qu.: 1.0 1st Qu.: 4432 1st Qu.:5.223e+06 1st Qu.:1.820e+09 1st Qu.:2.782e+06 1st Qu.: 0.2467 1st Qu.:0.01920 1st Qu.:0.0004671 1st Qu.: 0.00014 1st Qu.:8.071e+04 1st Qu.:1.148e+09 1st Qu.:1.934e+09 1st Qu.:1.220e+06 1st Qu.:1.081e+05 1st Qu.:1.450e+08 1st Qu.: 0.07639 1st Qu.: 0.0014 1st Qu.: 0.00 1st Qu.: 0.00006 1st Qu.: 0.00000 1st Qu.: 0.0068 1st Qu.: 303.5 1st Qu.: -0.40432 1st Qu.:0.06155 1st Qu.:0.1686 1st Qu.:0.2998 1st Qu.: 2.590 1st Qu.: 1.795 1st Qu.:1.408 1st Qu.: 2394 1st Qu.:1.506e+06 1st Qu.:2.653e+08 1st Qu.: 9.560e+05 1st Qu.: 0.2885 1st Qu.:0.02522 1st Qu.:0.0006706 1st Qu.: 0.00031 1st Qu.:4.289e+04 1st Qu.:3.184e+08 1st Qu.:5.579e+08 1st Qu.: 4.287e+05 1st Qu.:4.880e+04 1st Qu.:4.264e+07 1st Qu.: 0.1175 1st Qu.: 0.003 1st Qu.: 0.0 1st Qu.: 0.00014 1st Qu.: 0.00001 1st Qu.: 0.013 1st Qu.: 165.1 1st Qu.: -0.40216 1st Qu.:0.06093 1st Qu.:0.1716 1st Qu.:0.2968 1st Qu.: 2.473 1st Qu.: 1.756 1st Qu.:1.380 1st Qu.: 10.22 1st Qu.: 8.512 1st Qu.: 6.534 1st Qu.: 8.132 1st Qu.: 4.122 1st Qu.: 8.279 1st Qu.: 6.019 1st Qu.: 6.196 1st Qu.: 2.960 1st Qu.: 10.63 1st Qu.: 9.06 1st Qu.: 7.627 1st Qu.: 7.65 1st Qu.: 5.287 1st Qu.: 6.92 1st Qu.: 9.563 1st Qu.:1.260 1st Qu.: 7.576 1st Qu.: 9.222 1st Qu.: 3.638 1st Qu.: 8.959 1st Qu.: 6.279 1st Qu.: 6.325 1st Qu.: 7.440 1st Qu.: 3.886 1st Qu.: 7.20 1st Qu.: 4.065 1st Qu.: 5.259 1st Qu.: 2.007 1st Qu.: 8.192 1st Qu.: 6.32 1st Qu.: 6.077 1st Qu.: 5.346 1st Qu.: 5.141 1st Qu.: 6.333 1st Qu.: 6.616 1st Qu.:1.251 1st Qu.: 5.178 1st Qu.: 8.259 1st Qu.: 2.477 NA NA 1st Qu.:0 1st Qu.:0.2 1st Qu.:1.9 1st Qu.:1.4 1st Qu.:1 1st Qu.:1.8889 1st Qu.:-6.266e-11 1st Qu.:0.08992 1st Qu.:0.008085 1st Qu.:-0.8208 1st Qu.: 1.1256 1st Qu.:2.8 1st Qu.:4.05 1st Qu.:0.5
‘{11C:A:367:0: 66.8}’ : 1 ‘{11C:A:367:0: 24.7}’: 1 4tqc 34J 302 A: 6 1oao : 45 NAG : 116 Median : 436.0 C : 166 Median :0.70445 Median :0.00000 Median :0.481975 Median :0.00000 Median : 7.00 Median : 7.00 Median : 6.00 Median : 55.0 Median : 48.00 Median : 4.000 Median : 0.000 Median : 4.000 Median :0.0000 Median : 6.00 Median : 54.0 Median : 3.000 Median : 0.000 Median : 4.000 Median :0.0000 Median : 0.000 Median : 14.00 Median : 0.00000 Median : 0.00000 Median : 0.000 Median : 0.00000 Median : 0.0000 Median :1.875 Median : 0.0000 Median : 0.000 Median : 0.000 Median : 14.00 Median : 7.00 Median : 0.0000 Median : 0.00 Median : 0.000 Median : 0.00 Median : 0.00 Median : 0.000 Median :0.0000000 Median : 0.000 Median : 0.000 Median : 1.000 Median :0.0000 Median :0.08696 Median : 0.000 Median : 0.0000 Median :0.0000 Median : 2.000 Median : 12.00 Median : 0.000 Median :2.000 Median : 15.00 Median : 0.000 Median : 0.0000 Median : 2.000 Median : 2 Median : 355.68 Median : 8.2668 Median :0.01915 Median :0.09758 Median :0 Median : 0.8652 Median : 7.302 Median :0.17003 Median : 0.000 Median : 3.000 Median :0.00000 Median :0.0000 Median : 1.000 Median : 1.000 Median : 27.0 Median : 27.0 Median : 16.000 Median : 8.2556 Median :0.49147 Median :0.118203 Median : 0.8652 Median : 7.302 Median :0.10791 Median : 1.000 Median : 108699 Median :2.981e+09 Median :2.426e+13 Median :4.888e+10 Median :0.3799 Median :0.03360 Median :0.0007630 Median : 0.005749 Median :9.359e+06 Median :1.400e+13 Median :3.542e+13 Median :2.734e+10 Median :8.273e+09 Median :4.759e+11 Median : 0.22560 Median : 0.006664 Median : 0.02366 Median :0.003120 Median :0.000978 Median : 0.040933 Median : 2000.0 Median : -0.00026 Median :0.17726 Median :0.40450 Median :0.5631 Median : 5.950 Median : 3.620 Median :2.665 Median : 53045 Median :7.671e+08 Median :2.769e+12 Median :9.786e+09 Median :0.61550 Median :0.09118 Median :0.0032518 Median : 0.02021 Median :3.948e+06 Median :2.469e+12 Median :6.271e+12 Median :6.054e+09 Median :2.312e+09 Median :8.920e+10 Median : 0.58556 Median : 0.0501 Median : 0.152 Median : 0.01143 Median : 0.00479 Median : 0.1713 Median : 1031.95 Median : -0.00004 Median :0.17660 Median :0.4097 Median :0.56523 Median : 5.588 Median : 3.381 Median :2.500 Median : 27.932 Median :21.851 Median : 10.205 Median : 18.246 Median :11.125 Median : 25.520 Median : 21.43 Median : 18.940 Median :10.3849 Median : 29.995 Median : 31.933 Median : 23.224 Median : 28.489 Median :12.351 Median : 21.242 Median : 32.637 Median :1.3960 Median : 27.945 Median : 24.571 Median :16.1886 Median : 20.119 Median :15.696 Median : 8.846 Median : 14.377 Median : 7.887 Median : 18.229 Median : 18.050 Median :12.904 Median : 8.5748 Median : 22.343 Median : 24.563 Median :17.653 Median : 22.776 Median : 9.990 Median : 15.805 Median : 24.303 Median :1.3813 Median : 21.757 Median : 18.297 Median :13.4650 Median : 15.0 Median : 15.0 Median : 11.79 Median : 6.668 Median :0.5377 Median :0.10558 Median : 0.8652 Median : 7.302 Median :0.09649 Median : 1.000 Median : 66253 Median :1.152e+09 Median :5.556e+12 Median :1.390e+10 Median :0.3514 Median :0.02985 Median :0.0006902 Median : 0.004400 Median :4.448e+06 Median :2.902e+12 Median :7.540e+12 Median :7.970e+09 Median :1.908e+09 Median :1.262e+11 Median : 0.19807 Median : 0.005163 Median : 0.0188 Median : 0.002430 Median : 0.000807 Median : 0.03336 Median : 1474.0 Median : -0.00002 Median :0.18397 Median :0.4195 Median :0.5769 Median : 5.255 Median : 3.268 Median :2.435 Median : 37580 Median :3.425e+08 Median :8.648e+11 Median :3.349e+09 Median :0.5700 Median :0.08047 Median :0.002843 Median : 0.01289 Median :2.261e+06 Median :8.334e+11 Median :1.886e+12 Median :1.977e+09 Median :6.986e+08 Median :3.653e+10 Median : 0.5089 Median : 0.0364 Median : 0.101 Median : 0.00758 Median : 0.00279 Median : 0.1274 Median : 833.5 Median : 0.00000 Median :0.18631 Median :0.4253 Median :0.5817 Median : 4.876 Median : 3.083 Median :2.303 Median : 22.70 Median :18.76 Median : 8.698 Median : 14.713 Median : 9.157 Median : 21.27 Median : 17.11 Median : 15.922 Median : 8.799 Median : 25.29 Median : 25.99 Median :19.15 Median : 22.73 Median : 9.954 Median : 17.163 Median : 26.60 Median :1.479 Median : 22.28 Median : 19.49 Median :12.700 Median : 16.665 Median :14.106 Median : 7.859 Median : 11.884 Median : 6.885 Median : 15.843 Median : 14.277 Median :11.365 Median : 6.699 Median : 19.59 Median : 20.446 Median :15.390 Median : 18.60 Median : 8.498 Median : 13.36 Median : 20.77 Median :1.468 Median : 18.327 Median : 14.761 Median :11.24 Median : 9.0 Median : 9.0 Median : 8.848 Median : 5.206 Median :0.5788 Median :0.09384 Median : 0.8618 Median : 7.302 Median :0.08395 Median : 1.0 Median : 39766 Median :4.253e+08 Median :1.202e+12 Median :2.790e+09 Median : 0.3015 Median :0.02465 Median :0.0005536 Median : 0.00147 Median :2.084e+06 Median :7.080e+11 Median :1.506e+12 Median :1.349e+09 Median :2.083e+08 Median :3.703e+10 Median : 0.13508 Median : 0.0028 Median : 0.01 Median : 0.00070 Median : 0.00018 Median : 0.0188 Median : 1106.0 Median : 0.00000 Median :0.17912 Median :0.4055 Median :0.5708 Median : 4.508 Median : 2.947 Median :2.204 Median : 25088 Median :1.526e+08 Median :2.642e+11 Median : 9.138e+08 Median : 0.4775 Median :0.06031 Median :0.0019618 Median : 0.00382 Median :1.212e+06 Median :2.404e+11 Median :5.288e+11 Median : 4.745e+08 Median :9.535e+07 Median :1.302e+10 Median : 0.3354 Median : 0.018 Median : 0.0 Median : 0.00196 Median : 0.00058 Median : 0.067 Median : 650.8 Median : 0.00000 Median :0.18180 Median :0.4086 Median :0.5760 Median : 4.197 Median : 2.776 Median :2.107 Median : 17.90 Median :16.249 Median : 8.268 Median : 11.465 Median : 7.003 Median : 16.832 Median : 13.667 Median :13.249 Median : 6.993 Median : 20.94 Median : 20.76 Median :15.814 Median : 18.23 Median : 7.078 Median : 13.49 Median : 20.735 Median :1.514 Median : 17.308 Median : 15.236 Median : 9.334 Median : 13.770 Median :12.465 Median : 7.935 Median : 9.809 Median : 5.647 Median : 13.13 Median : 10.392 Median : 9.902 Median : 4.957 Median : 17.042 Median : 15.93 Median :13.204 Median : 14.164 Median : 6.936 Median :10.885 Median : 17.284 Median :1.505 Median : 14.715 Median : 12.129 Median : 8.674 NA NA Median :0 Median :0.2 Median :1.9 Median :1.4 Median :1 Median :2.1600 Median :-1.150e-12 Median :0.11645 Median :0.013562 Median :-0.6350 Median : 1.9590 Median :2.8 Median :4.05 Median :0.5
‘{11C:A:367:0: 91.9}’ : 1 ‘{11C:B:367:0: 50.2}’: 1 1jbq HEM 501 E: 4 2awe : 34 HEM : 111 Mean : 691.7 D : 104 Mean :0.64361 Mean :0.02155 Mean :0.514115 Mean :0.08193 Mean :13.94 Mean :13.79 Mean :12.99 Mean :103.1 Mean : 96.57 Mean : 7.907 Mean : 1.319 Mean : 3.721 Mean :0.2065 Mean : 13.88 Mean :103.8 Mean : 7.897 Mean : 1.275 Mean : 3.884 Mean :0.2025 Mean : 1.134 Mean : 24.76 Mean : 0.04311 Mean : 0.02506 Mean : 2.281 Mean : 0.02907 Mean : 0.3383 Mean :1.568 Mean : 0.7674 Mean : 3.494 Mean : 3.527 Mean : 38.67 Mean : 12.68 Mean : 0.7729 Mean : 5.71 Mean : 1.045 Mean : 2.47 Mean : 3.23 Mean : 2.002 Mean :0.0002918 Mean : 2.583 Mean : 3.004 Mean : 1.734 Mean :0.1118 Mean :0.22569 Mean : 3.033 Mean : 0.1444 Mean :0.1118 Mean : 3.237 Mean : 30.84 Mean : 1.837 Mean :1.896 Mean : 37.22 Mean : 2.447 Mean : 0.1333 Mean : 4.977 Mean : 2 Mean : 855.95 Mean : 18.5353 Mean :0.02422 Mean :0.12339 Mean :0 Mean : 1.3603 Mean : 10.247 Mean :0.22322 Mean : 0.462 Mean : 4.735 Mean :0.01905 Mean :0.1333 Mean : 2.296 Mean : 2.247 Mean : 409.3 Mean : 409.3 Mean : 33.834 Mean : 18.2866 Mean :0.58412 Mean :0.212197 Mean : 1.3603 Mean : 10.247 Mean :0.22186 Mean : 1.083 Mean : 1596541 Mean :3.890e+12 Mean :3.140e+18 Mean :2.733e+15 Mean :0.4863 Mean :0.06004 Mean :0.0018975 Mean : 0.055016 Mean :1.758e+09 Mean :5.771e+18 Mean :5.954e+19 Mean :1.691e+15 Mean :9.958e+14 Mean :2.667e+16 Mean : 0.52086 Mean : 0.082883 Mean : 0.69048 Mean :0.037880 Mean :0.026456 Mean : 0.289778 Mean : 4229.3 Mean : -0.01950 Mean :0.24592 Mean :0.43609 Mean :0.5465 Mean : 8.123 Mean : 4.546 Mean :2.992 Mean : 790175 Mean :9.707e+11 Mean :3.707e+17 Mean :7.566e+14 Mean :0.73756 Mean :0.14079 Mean :0.0071218 Mean : 0.31568 Mean :8.720e+08 Mean :1.296e+18 Mean :1.588e+19 Mean :5.004e+14 Mean :3.297e+14 Mean :7.180e+15 Mean : 1.36311 Mean : 0.8667 Mean : 8.417 Mean : 0.25421 Mean : 0.21323 Mean : 1.3539 Mean : 2285.83 Mean : -0.00879 Mean :0.24992 Mean :0.4380 Mean :0.54926 Mean : 7.765 Mean : 4.305 Mean :2.822 Mean : 42.261 Mean :26.967 Mean : 17.884 Mean : 29.020 Mean :15.311 Mean : 36.059 Mean : 32.70 Mean : 25.065 Mean :15.4944 Mean : 39.323 Mean : 47.960 Mean : 29.134 Mean : 43.356 Mean :18.601 Mean : 29.825 Mean : 44.981 Mean :1.4151 Mean : 38.696 Mean : 37.590 Mean :21.3019 Mean : 31.256 Mean :19.610 Mean :15.430 Mean : 23.090 Mean :11.389 Mean : 26.225 Mean : 25.582 Mean :17.592 Mean :13.3413 Mean : 28.745 Mean : 35.228 Mean :22.378 Mean : 32.490 Mean :15.186 Mean : 22.491 Mean : 33.110 Mean :1.4057 Mean : 29.320 Mean : 28.541 Mean :17.8863 Mean : 327.4 Mean : 327.4 Mean : 26.21 Mean : 15.792 Mean :0.6346 Mean :0.20289 Mean : 1.3574 Mean : 10.211 Mean :0.20986 Mean : 1.269 Mean : 1208495 Mean :2.357e+12 Mean :1.447e+18 Mean :1.738e+15 Mean :0.5154 Mean :0.06844 Mean :0.0022941 Mean : 0.123942 Mean :1.336e+09 Mean :3.471e+18 Mean :3.900e+19 Mean :1.108e+15 Mean :6.871e+14 Mean :1.734e+16 Mean : 0.68054 Mean : 0.147512 Mean : 1.8384 Mean : 0.102321 Mean : 0.087907 Mean : 0.51620 Mean : 3276.1 Mean : -0.06151 Mean :0.25337 Mean :0.4364 Mean :0.5518 Mean : 7.457 Mean : 4.105 Mean :2.687 Mean : 663248 Mean :7.264e+11 Mean :2.428e+17 Mean :5.961e+14 Mean :0.7377 Mean :0.14081 Mean :0.006911 Mean : 0.55646 Mean :7.330e+08 Mean :9.474e+17 Mean :1.225e+19 Mean :4.028e+14 Mean :2.740e+14 Mean :5.534e+15 Mean : 1.5971 Mean : 1.0461 Mean : 18.263 Mean : 0.50047 Mean : 0.46315 Mean : 2.2113 Mean : 1974.0 Mean : -0.03694 Mean :0.25746 Mean :0.4389 Mean :0.5548 Mean : 7.154 Mean : 3.909 Mean :2.553 Mean : 36.81 Mean :22.99 Mean : 16.471 Mean : 25.688 Mean :13.452 Mean : 31.07 Mean : 28.12 Mean : 21.664 Mean :13.751 Mean : 33.36 Mean : 41.15 Mean :24.59 Mean : 37.03 Mean :16.635 Mean : 25.663 Mean : 38.15 Mean :1.511 Mean : 32.60 Mean : 32.69 Mean :18.135 Mean : 28.725 Mean :17.674 Mean :14.756 Mean : 21.409 Mean :10.655 Mean : 23.938 Mean : 22.827 Mean :16.189 Mean :12.142 Mean : 25.75 Mean : 31.624 Mean :19.929 Mean : 28.98 Mean :14.192 Mean : 20.47 Mean : 29.45 Mean :1.503 Mean : 25.852 Mean : 26.148 Mean :15.74 Mean : 258.6 Mean : 258.6 Mean : 20.344 Mean : 13.545 Mean :0.6560 Mean :0.19303 Mean : 1.3270 Mean : 9.957 Mean :0.19767 Mean : 1.3 Mean : 914995 Mean :1.443e+12 Mean :6.885e+17 Mean :1.127e+15 Mean : 0.5217 Mean :0.07555 Mean :0.0027479 Mean : 0.17658 Mean :1.015e+09 Mean :2.117e+18 Mean :2.532e+19 Mean :7.402e+14 Mean :4.820e+14 Mean :1.121e+16 Mean : 0.94279 Mean : 0.8425 Mean : 29.93 Mean : 0.14931 Mean : 0.13113 Mean : 2.0277 Mean : 2543.0 Mean : 0.06812 Mean :0.25155 Mean :0.4196 Mean :0.5219 Mean : 6.684 Mean : 3.633 Mean :2.370 Mean : 550231 Mean :5.354e+11 Mean :1.568e+17 Mean : 4.686e+14 Mean : 0.7075 Mean :0.13749 Mean :0.0066783 Mean : 0.66448 Mean :6.089e+08 Mean :6.820e+17 Mean :9.168e+18 Mean : 3.240e+14 Mean :2.276e+14 Mean :4.145e+15 Mean : 2.3300 Mean : 15.139 Mean : 682.1 Mean : 0.63563 Mean : 0.61639 Mean : 16.521 Mean : 1693.2 Mean : 0.09351 Mean :0.25535 Mean :0.4219 Mean :0.5250 Mean : 6.427 Mean : 3.471 Mean :2.262 Mean : 31.55 Mean :19.386 Mean :14.794 Mean : 22.335 Mean :11.647 Mean : 26.397 Mean : 23.748 Mean :18.446 Mean :11.877 Mean : 27.93 Mean : 34.73 Mean :20.486 Mean : 31.15 Mean :14.578 Mean : 21.85 Mean : 31.892 Mean :1.504 Mean : 27.106 Mean : 28.046 Mean :15.209 Mean : 25.837 Mean :15.702 Mean :13.685 Mean : 19.415 Mean : 9.718 Mean : 21.40 Mean : 20.050 Mean :14.560 Mean :10.811 Mean : 22.706 Mean : 27.90 Mean :17.497 Mean : 25.441 Mean :12.944 Mean :18.305 Mean : 25.765 Mean :1.497 Mean : 22.450 Mean : 23.494 Mean :13.645 NA NA Mean :0 Mean :0.2 Mean :1.9 Mean :1.4 Mean :1 Mean :2.1801 Mean :-1.293e-10 Mean :0.12356 Mean :0.017697 Mean :-0.6744 Mean : 2.6089 Mean :2.8 Mean :4.05 Mean :0.5
‘{11C:B:367:0: 90.9}’ : 1 ‘{12P:A:611:1: 16.7}’: 1 1nly 2PE 403 B: 4 2agd : 33 MG : 73 3rd Qu.: 906.5 E : 59 3rd Qu.:0.85076 3rd Qu.:0.00000 3rd Qu.:0.732913 3rd Qu.:0.00000 3rd Qu.:21.00 3rd Qu.:21.00 3rd Qu.:20.00 3rd Qu.:146.0 3rd Qu.:137.00 3rd Qu.:10.000 3rd Qu.: 2.000 3rd Qu.: 5.000 3rd Qu.:0.0000 3rd Qu.: 21.00 3rd Qu.:151.5 3rd Qu.:10.000 3rd Qu.: 2.000 3rd Qu.: 6.000 3rd Qu.:0.0000 3rd Qu.: 0.000 3rd Qu.: 35.00 3rd Qu.: 0.00000 3rd Qu.: 0.00000 3rd Qu.: 0.000 3rd Qu.: 0.00000 3rd Qu.: 0.0000 3rd Qu.:1.966 3rd Qu.: 0.0000 3rd Qu.: 0.000 3rd Qu.: 0.000 3rd Qu.: 43.00 3rd Qu.: 18.00 3rd Qu.: 0.0000 3rd Qu.: 2.00 3rd Qu.: 0.000 3rd Qu.: 0.00 3rd Qu.: 0.00 3rd Qu.: 0.000 3rd Qu.:0.0000000 3rd Qu.: 1.000 3rd Qu.: 0.000 3rd Qu.: 2.000 3rd Qu.:0.0000 3rd Qu.:0.25000 3rd Qu.: 2.000 3rd Qu.: 0.0000 3rd Qu.:0.0000 3rd Qu.: 4.000 3rd Qu.: 38.00 3rd Qu.: 2.000 3rd Qu.:2.000 3rd Qu.: 44.00 3rd Qu.: 0.000 3rd Qu.: 0.0000 3rd Qu.:10.000 3rd Qu.: 2 3rd Qu.: 854.38 3rd Qu.: 22.2985 3rd Qu.:0.02896 3rd Qu.:0.14090 3rd Qu.:0 3rd Qu.: 1.4996 3rd Qu.: 12.042 3rd Qu.:0.25159 3rd Qu.: 0.168 3rd Qu.: 7.000 3rd Qu.:0.00000 3rd Qu.:0.0000 3rd Qu.: 3.000 3rd Qu.: 3.000 3rd Qu.: 168.0 3rd Qu.: 168.0 3rd Qu.: 38.688 3rd Qu.: 21.9729 3rd Qu.:0.67121 3rd Qu.:0.233224 3rd Qu.: 1.4996 3rd Qu.: 12.042 3rd Qu.:0.24083 3rd Qu.: 1.000 3rd Qu.: 696730 3rd Qu.:1.040e+11 3rd Qu.:3.450e+15 3rd Qu.:7.061e+12 3rd Qu.:0.6023 3rd Qu.:0.07130 3rd Qu.:0.0017078 3rd Qu.: 0.032706 3rd Qu.:1.638e+08 3rd Qu.:3.399e+15 3rd Qu.:1.310e+16 3rd Qu.:4.317e+12 3rd Qu.:1.798e+12 3rd Qu.:6.005e+13 3rd Qu.: 0.59074 3rd Qu.: 0.035131 3rd Qu.: 0.19430 3rd Qu.:0.019454 3rd Qu.:0.008888 3rd Qu.: 0.188370 3rd Qu.: 4836.0 3rd Qu.: 0.74520 3rd Qu.:0.36218 3rd Qu.:0.62986 3rd Qu.:0.7307 3rd Qu.:10.444 3rd Qu.: 5.559 3rd Qu.:3.500 3rd Qu.: 302935 3rd Qu.:2.021e+10 3rd Qu.:3.584e+14 3rd Qu.:1.663e+12 3rd Qu.:0.94022 3rd Qu.:0.17908 3rd Qu.:0.0077478 3rd Qu.: 0.13241 3rd Qu.:6.710e+07 3rd Qu.:5.384e+14 3rd Qu.:2.410e+15 3rd Qu.:1.148e+12 3rd Qu.:5.763e+11 3rd Qu.:1.024e+13 3rd Qu.: 1.50092 3rd Qu.: 0.2253 3rd Qu.: 1.267 3rd Qu.: 0.08749 3rd Qu.: 0.04610 3rd Qu.: 0.7649 3rd Qu.: 2746.61 3rd Qu.: 0.77139 3rd Qu.:0.37270 3rd Qu.:0.6381 3rd Qu.:0.74054 3rd Qu.:10.029 3rd Qu.: 5.245 3rd Qu.:3.257 3rd Qu.: 56.641 3rd Qu.:33.978 3rd Qu.: 23.583 3rd Qu.: 38.838 3rd Qu.:20.440 3rd Qu.: 48.767 3rd Qu.: 45.23 3rd Qu.: 32.851 3rd Qu.:20.5132 3rd Qu.: 50.205 3rd Qu.: 64.107 3rd Qu.: 37.850 3rd Qu.: 58.411 3rd Qu.:25.746 3rd Qu.: 40.040 3rd Qu.: 60.131 3rd Qu.:1.5564 3rd Qu.: 52.509 3rd Qu.: 50.984 3rd Qu.:29.3362 3rd Qu.: 41.737 3rd Qu.:25.607 3rd Qu.:20.101 3rd Qu.: 31.419 3rd Qu.:15.103 3rd Qu.: 35.405 3rd Qu.: 36.197 3rd Qu.:23.070 3rd Qu.:18.8072 3rd Qu.: 37.108 3rd Qu.: 48.289 3rd Qu.:30.166 3rd Qu.: 44.802 3rd Qu.:20.096 3rd Qu.: 30.889 3rd Qu.: 44.369 3rd Qu.:1.5503 3rd Qu.: 39.929 3rd Qu.: 38.667 3rd Qu.:25.2114 3rd Qu.: 116.0 3rd Qu.: 116.0 3rd Qu.: 28.53 3rd Qu.: 19.122 3rd Qu.:0.7332 3rd Qu.:0.22237 3rd Qu.: 1.4996 3rd Qu.: 12.042 3rd Qu.:0.22576 3rd Qu.: 1.000 3rd Qu.: 454677 3rd Qu.:4.092e+10 3rd Qu.:9.234e+14 3rd Qu.:3.486e+12 3rd Qu.:0.6629 3rd Qu.:0.07968 3rd Qu.:0.0019825 3rd Qu.: 0.047327 3rd Qu.:1.003e+08 3rd Qu.:1.007e+15 3rd Qu.:4.857e+15 3rd Qu.:2.047e+12 3rd Qu.:9.320e+11 3rd Qu.:2.355e+13 3rd Qu.: 0.73328 3rd Qu.: 0.048737 3rd Qu.: 0.3113 3rd Qu.: 0.029483 3rd Qu.: 0.014087 3rd Qu.: 0.26616 3rd Qu.: 3566.0 3rd Qu.: 0.54183 3rd Qu.:0.38227 3rd Qu.:0.6449 3rd Qu.:0.7456 3rd Qu.: 9.760 3rd Qu.: 5.087 3rd Qu.:3.199 3rd Qu.: 215745 3rd Qu.:1.074e+10 3rd Qu.:1.223e+14 3rd Qu.:9.148e+11 3rd Qu.:0.9293 3rd Qu.:0.16747 3rd Qu.:0.006904 3rd Qu.: 0.15802 3rd Qu.:4.757e+07 3rd Qu.:2.388e+14 3rd Qu.:1.233e+15 3rd Qu.:6.098e+11 3rd Qu.:3.287e+11 3rd Qu.:5.477e+12 3rd Qu.: 1.5066 3rd Qu.: 0.2116 3rd Qu.: 1.312 3rd Qu.: 0.10607 3rd Qu.: 0.06186 3rd Qu.: 0.7679 3rd Qu.: 2390.2 3rd Qu.: 0.57337 3rd Qu.:0.39035 3rd Qu.:0.6513 3rd Qu.:0.7520 3rd Qu.: 9.415 3rd Qu.: 4.799 3rd Qu.:3.008 3rd Qu.: 49.87 3rd Qu.:29.18 3rd Qu.: 21.059 3rd Qu.: 34.543 3rd Qu.:18.186 3rd Qu.: 42.74 3rd Qu.: 39.92 3rd Qu.: 29.437 3rd Qu.:18.433 3rd Qu.: 43.31 3rd Qu.: 57.04 3rd Qu.:32.94 3rd Qu.: 51.28 3rd Qu.:23.114 3rd Qu.: 35.659 3rd Qu.: 52.10 3rd Qu.:1.728 3rd Qu.: 45.87 3rd Qu.: 44.90 3rd Qu.:25.898 3rd Qu.: 38.102 3rd Qu.:23.888 3rd Qu.:18.888 3rd Qu.: 28.201 3rd Qu.:14.408 3rd Qu.: 32.729 3rd Qu.: 33.268 3rd Qu.:21.486 3rd Qu.:17.473 3rd Qu.: 34.40 3rd Qu.: 44.126 3rd Qu.:27.694 3rd Qu.: 40.98 3rd Qu.:18.773 3rd Qu.: 28.14 3rd Qu.: 40.81 3rd Qu.:1.724 3rd Qu.: 36.434 3rd Qu.: 34.773 3rd Qu.:22.51 3rd Qu.: 77.0 3rd Qu.: 77.0 3rd Qu.: 21.400 3rd Qu.: 16.739 3rd Qu.:0.7961 3rd Qu.:0.21365 3rd Qu.: 1.4996 3rd Qu.: 12.042 3rd Qu.:0.20999 3rd Qu.: 1.0 3rd Qu.: 284910 3rd Qu.:1.613e+10 3rd Qu.:2.111e+14 3rd Qu.:1.329e+12 3rd Qu.: 0.6740 3rd Qu.:0.08241 3rd Qu.:0.0021248 3rd Qu.: 0.05751 3rd Qu.:5.369e+07 3rd Qu.:3.249e+14 3rd Qu.:1.604e+15 3rd Qu.:8.827e+11 3rd Qu.:4.264e+11 3rd Qu.:7.929e+12 3rd Qu.: 0.77278 3rd Qu.: 0.0590 3rd Qu.: 0.35 3rd Qu.: 0.03531 3rd Qu.: 0.01786 3rd Qu.: 0.2793 3rd Qu.: 2675.0 3rd Qu.: 0.33890 3rd Qu.:0.40493 3rd Qu.:0.6512 3rd Qu.:0.7507 3rd Qu.: 9.005 3rd Qu.: 4.622 3rd Qu.:2.983 3rd Qu.: 161124 3rd Qu.:5.097e+09 3rd Qu.:4.292e+13 3rd Qu.: 3.814e+11 3rd Qu.: 0.8879 3rd Qu.:0.14303 3rd Qu.:0.0056666 3rd Qu.: 0.14540 3rd Qu.:2.778e+07 3rd Qu.:7.848e+13 3rd Qu.:4.444e+14 3rd Qu.: 2.723e+11 3rd Qu.:1.512e+11 3rd Qu.:2.241e+12 3rd Qu.: 1.4266 3rd Qu.: 0.182 3rd Qu.: 1.2 3rd Qu.: 0.10500 3rd Qu.: 0.05847 3rd Qu.: 0.671 3rd Qu.: 2092.3 3rd Qu.: 0.38593 3rd Qu.:0.41212 3rd Qu.:0.6631 3rd Qu.:0.7566 3rd Qu.: 8.681 3rd Qu.: 4.366 3rd Qu.:2.817 3rd Qu.: 43.47 3rd Qu.:25.271 3rd Qu.:18.842 3rd Qu.: 30.300 3rd Qu.:16.188 3rd Qu.: 36.452 3rd Qu.: 34.188 3rd Qu.:24.972 3rd Qu.:15.762 3rd Qu.: 37.65 3rd Qu.: 48.64 3rd Qu.:28.197 3rd Qu.: 44.26 3rd Qu.:19.823 3rd Qu.: 30.86 3rd Qu.: 45.414 3rd Qu.:1.834 3rd Qu.: 39.104 3rd Qu.: 38.865 3rd Qu.:22.142 3rd Qu.: 34.788 3rd Qu.:22.350 3rd Qu.:16.698 3rd Qu.: 25.292 3rd Qu.:13.070 3rd Qu.: 28.92 3rd Qu.: 30.453 3rd Qu.:19.279 3rd Qu.:15.634 3rd Qu.: 31.309 3rd Qu.: 39.99 3rd Qu.:25.164 3rd Qu.: 36.887 3rd Qu.:17.179 3rd Qu.:24.710 3rd Qu.: 36.773 3rd Qu.:1.833 3rd Qu.: 33.057 3rd Qu.: 31.388 3rd Qu.:20.045 NA NA 3rd Qu.:0 3rd Qu.:0.2 3rd Qu.:1.9 3rd Qu.:1.4 3rd Qu.:1 3rd Qu.:2.5000 3rd Qu.: 7.019e-11 3rd Qu.:0.14493 3rd Qu.:0.021005 3rd Qu.:-0.4797 3rd Qu.: 3.2321 3rd Qu.:2.8 3rd Qu.:4.05 3rd Qu.:0.5
‘{12P:A:611:1: 68.8}’ : 1 ‘{12P:A:611:1: 20.2}’: 1 2awe BGM 2 C : 4 5chx : 32 ZN : 72 Max. :9002.0 F : 30 Max. :1.00000 Max. :0.92702 Max. :1.000000 Max. :1.00000 Max. :91.00 Max. :91.00 Max. :91.00 Max. :617.0 Max. :617.00 Max. :62.000 Max. :13.000 Max. :24.000 Max. :6.0000 Max. :104.00 Max. :694.0 Max. :69.000 Max. :13.000 Max. :35.000 Max. :6.0000 Max. :630.000 Max. :202.00 Max. :27.00000 Max. :17.00000 Max. :160.000 Max. :19.00000 Max. :191.0000 Max. :5.976 Max. :207.0000 Max. :91.000 Max. :121.000 Max. :1996.00 Max. :101.00 Max. :424.0000 Max. :69.00 Max. :633.000 Max. :56.00 Max. :109.00 Max. :60.000 Max. :0.1225906 Max. :520.000 Max. :92.000 Max. :84.000 Max. :1.0000 Max. :1.00000 Max. :430.000 Max. :36.0000 Max. :1.0000 Max. :31.000 Max. :320.00 Max. :39.000 Max. :4.000 Max. :668.00 Max. :1329.000 Max. :67.0000 Max. :21.000 Max. :35 Max. :11861.59 Max. :171.3310 Max. :0.24060 Max. :1.07858 Max. :0 Max. :27.1637 Max. :101.722 Max. :2.36216 Max. :22.768 Max. :44.000 Max. :3.00000 Max. :6.0000 Max. :19.000 Max. :18.000 Max. :114577.0 Max. :114577.0 Max. :304.672 Max. :170.1131 Max. :4.55446 Max. :5.242593 Max. :27.1637 Max. :101.722 Max. :6.64729 Max. :21.000 Max. :49345171 Max. :3.964e+14 Max. :7.138e+20 Max. :3.849e+17 Max. :2.7950 Max. :1.37240 Max. :0.0631439 Max. :11.295451 Max. :1.164e+11 Max. :1.977e+21 Max. :9.674e+21 Max. :2.842e+17 Max. :2.171e+17 Max. :3.258e+18 Max. :17.17392 Max. :25.897381 Max. :171.94542 Max. :7.900524 Max. :5.637239 Max. :28.417773 Max. :38084.0 Max. : 27.82149 Max. :0.98000 Max. :0.99665 Max. :0.9947 Max. :36.604 Max. :18.725 Max. :9.556 Max. :24714871 Max. :8.972e+13 Max. :6.329e+19 Max. :9.725e+16 Max. :5.62637 Max. :5.69279 Max. :0.5724013 Max. :197.49046 Max. :5.395e+10 Max. :3.508e+20 Max. :2.378e+21 Max. :7.447e+16 Max. :7.341e+16 Max. :9.857e+17 Max. :102.77749 Max. :818.9250 Max. :6758.274 Max. :171.31354 Max. :153.86227 Max. :350.5213 Max. :21264.14 Max. : 33.52991 Max. :0.97604 Max. :0.9971 Max. :0.99744 Max. :34.921 Max. :18.077 Max. :9.418 Max. :200.272 Max. :95.351 Max. :112.718 Max. :147.067 Max. :75.181 Max. :157.340 Max. :166.35 Max. :109.055 Max. :77.7094 Max. :156.359 Max. :236.712 Max. :104.851 Max. :210.215 Max. :97.166 Max. :130.948 Max. :203.545 Max. :2.0322 Max. :172.711 Max. :176.089 Max. :95.4995 Max. :151.339 Max. :71.249 Max. :87.309 Max. :113.920 Max. :61.664 Max. :124.889 Max. :125.789 Max. :84.724 Max. :69.5214 Max. :118.097 Max. :180.597 Max. :81.134 Max. :167.254 Max. :82.495 Max. :106.625 Max. :154.886 Max. :2.0189 Max. :136.019 Max. :136.376 Max. :74.6305 Max. :69202.0 Max. :69202.0 Max. :243.36 Max. :157.642 Max. :5.2154 Max. :5.59081 Max. :27.1637 Max. :101.722 Max. :6.68747 Max. :21.000 Max. :41656459 Max. :2.322e+14 Max. :2.507e+20 Max. :2.635e+17 Max. :3.5846 Max. :1.54427 Max. :0.0772914 Max. :25.736682 Max. :9.502e+10 Max. :1.397e+21 Max. :6.592e+21 Max. :1.983e+17 Max. :1.548e+17 Max. :2.350e+18 Max. :21.29922 Max. :27.912393 Max. :391.5346 Max. :26.972240 Max. :27.795944 Max. :63.83540 Max. :30420.0 Max. : 47.29435 Max. :0.98119 Max. :0.9944 Max. :0.9964 Max. :36.252 Max. :18.050 Max. :9.210 Max. :22944763 Max. :7.349e+13 Max. :4.557e+19 Max. :7.699e+16 Max. :8.0702 Max. :5.06822 Max. :0.500448 Max. :210.06811 Max. :4.982e+10 Max. :2.861e+20 Max. :2.039e+21 Max. :6.463e+16 Max. :6.386e+16 Max. :7.737e+17 Max. :105.3442 Max. :603.4435 Max. :7915.238 Max. :200.19069 Max. :193.60574 Max. :457.1927 Max. :19705.2 Max. : 59.38051 Max. :0.97713 Max. :0.9970 Max. :0.9981 Max. :34.925 Max. :17.391 Max. :9.391 Max. :179.70 Max. :85.22 Max. :105.998 Max. :136.665 Max. :70.892 Max. :145.89 Max. :154.74 Max. :100.360 Max. :75.577 Max. :146.07 Max. :222.48 Max. :97.06 Max. :193.13 Max. :94.893 Max. :121.148 Max. :190.28 Max. :2.815 Max. :159.04 Max. :160.46 Max. :88.668 Max. :148.035 Max. :68.588 Max. :84.675 Max. :110.876 Max. :58.878 Max. :121.465 Max. :120.155 Max. :82.675 Max. :70.120 Max. :113.48 Max. :173.577 Max. :77.430 Max. :159.45 Max. :80.681 Max. :103.29 Max. :149.41 Max. :2.816 Max. :129.619 Max. :132.934 Max. :73.50 Max. :43653.0 Max. :43653.0 Max. :211.432 Max. :145.835 Max. :6.2512 Max. :5.88611 Max. :27.1637 Max. :101.722 Max. :6.54564 Max. :16.0 Max. :35083862 Max. :1.447e+14 Max. :1.204e+20 Max. :1.817e+17 Max. :14.9298 Max. :2.07605 Max. :0.1034693 Max. :38.42210 Max. :7.655e+10 Max. :9.683e+20 Max. :4.644e+21 Max. :1.393e+17 Max. :1.152e+17 Max. :1.666e+18 Max. :227.93344 Max. :1057.2979 Max. :50815.39 Max. :41.25210 Max. :43.13876 Max. :2296.0034 Max. :26429.0 Max. : 46.94586 Max. :0.97955 Max. :0.9960 Max. :0.9957 Max. :35.864 Max. :17.098 Max. :8.998 Max. :21022273 Max. :6.008e+13 Max. :3.318e+19 Max. : 6.358e+16 Max. :33.3835 Max. :6.14077 Max. :0.3972859 Max. :206.08879 Max. :4.546e+10 Max. :2.268e+20 Max. :1.708e+21 Max. : 5.315e+16 Max. :5.340e+16 Max. :5.814e+17 Max. :1140.7211 Max. :26490.253 Max. :1272960.3 Max. :209.90438 Max. :212.44810 Max. :25694.954 Max. :18229.4 Max. : 46.01001 Max. :0.97577 Max. :0.9955 Max. :0.9964 Max. :34.824 Max. :16.494 Max. :9.406 Max. :170.30 Max. :79.432 Max. :99.810 Max. :127.583 Max. :67.889 Max. :135.315 Max. :144.685 Max. :93.840 Max. :73.417 Max. :136.63 Max. :208.22 Max. :90.235 Max. :180.72 Max. :90.180 Max. :112.70 Max. :177.408 Max. :3.303 Max. :146.882 Max. :151.666 Max. :83.086 Max. :144.452 Max. :65.969 Max. :81.130 Max. :107.877 Max. :56.996 Max. :117.63 Max. :114.398 Max. :80.259 Max. :70.185 Max. :108.859 Max. :167.34 Max. :74.859 Max. :150.965 Max. :77.797 Max. :99.660 Max. :144.076 Max. :3.303 Max. :122.797 Max. :129.291 Max. :71.998 NA NA Max. :0 Max. :0.2 Max. :1.9 Max. :1.4 Max. :1 Max. :3.6823 Max. : 4.449e-08 Max. :0.42034 Max. :0.176686 Max. :-0.1905 Max. :27.3234 Max. :2.8 Max. :4.05 Max. :0.5
(Other) :1988 (Other) :1989 (Other) :1965 (Other):1745 (Other):1291 NA (Other): 111 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA

7. 50 najpopularniejszych wartości klasy res_name

Filtracja wczytanego i wstępnie przetworzonego zbioru o najpopularniejsze 50 wartości kolumny res_name

data_without_missing_val_distinct <- data_without_missing_val %>% distinct(pdb_code, res_name)
names_of_RES_NAMES_first_50 <- data_without_missing_val_distinct %>% group_by(res_name) %>% summarise(n = n()) %>% arrange(desc(n)) %>% head(50) %>% select(res_name)
names_of_RES_NAMES_first_50_vector <- unlist(names_of_RES_NAMES_first_50)
data_without_missing_val_50_most_popular <- data_without_missing_val  %>% filter(res_name %in% names_of_RES_NAMES_first_50_vector)

8. Korelacja między zmiennymi

Korelacja zbudowana dla tabeli zawierającej odfiltrowane wcześniej dane(delete_coulmn) oraz zawierające 50 najpopularniejszych wartości res_name. Użyta funkcja korelacji z atrybutem “pairwise.complete.obs” który pomija puste wartości Na.

data_without_missing_val_50_most_popular_without_not_cor_collumn <- data_without_missing_val_50_most_popular %>% select(-delete_coulmn)
data_corelation <- cor(data_without_missing_val_50_most_popular_without_not_cor_collumn, use = "pairwise.complete.obs")
ggcorrplot(data_corelation)

9. Określenie liczności każdej klasy res_name

Powyższy wykres ukazuje 10 klas res_name posiadających najwięcej przykładów.

res_name_number_of_data <- data_without_missing_val_distinct %>% group_by(res_name) %>% summarise(n = n()) %>% arrange(desc(n)) %>% head(10)
ggplot(res_name_number_of_data , aes(x = res_name, y = n, order = desc(n))) + geom_bar(stat="identity") 

10. Wykresy liczby atomów i elektronów

Rozkład liczby atomów (local_res_atom_non_h_count) i elektronrów (local_res_atom_non_h_electron_sum)

rozk <- stack(data_without_missing_val_50_most_popular %>% select(local_res_atom_non_h_count, local_res_atom_non_h_electron_sum))
ggplot(rozk, aes(x = values)) + geom_density(aes(group=ind, colour=ind, fill=ind), alpha=0.3)

11. 10 klas z największą niezgodnością liczby atomów i 10 klas z największą niezgodnością liczby elektronów

Tabela przedtawiające 10 klas z największą niezgodnością liczby atomów

##     res_name     diffr    
##  NAG    :7   Min.   :1.0  
##  PG4    :2   1st Qu.:1.0  
##  FUC    :1   Median :1.0  
##  017    :0   Mean   :1.7  
##  11C    :0   3rd Qu.:1.0  
##  12P    :0   Max.   :6.0  
##  (Other):0
res_name diffr
PG4 6
PG4 3
NAG 1
NAG 1
NAG 1
NAG 1
NAG 1
FUC 1
NAG 1
NAG 1

Tabela przedtawiająca 10 klas z największą niezgodnością liczby elektronów

##     res_name     diffr      
##  5R6    :4   Min.   :263.0  
##  VQ7    :3   1st Qu.:277.0  
##  15P    :2   Median :329.0  
##  DSL    :1   Mean   :315.8  
##  017    :0   3rd Qu.:329.0  
##  11C    :0   Max.   :374.0  
##  (Other):0
res_name diffr
15P 374
15P 374
5R6 329
5R6 329
5R6 329
5R6 329
VQ7 277
VQ7 277
VQ7 277
DSL 263

12. Rozkład wartości wszystkich kolumn par01

Poniżej wykresy pokazujące rozkład wartości wszystkich kolumn zaczynających się od part_01 z zaznaczeniem (graficznym i liczbowym) średniej wartości.

par01 <- data_without_missing_val_50_most_popular %>% select(part_01_shape_segments_count:part_01_density_Z_4_0)
for (column_number in 1:length(par01)) {
  column <- par01[,column_number]
  mean_val <- mean(column)
  p <- ggplot() + aes(column) + geom_histogram(fill="red", col="black") + ylab(paste("number of ", names(par01[column_number]))) + xlab(names(par01[column_number])) + labs(title=paste("Histogram of ", names(par01[column_number]))) + geom_vline(xintercept=mean_val, color="blue", linetype="dotted", size=0.5)  + annotate("text", x = mean_val, y = -100, label = mean_val)
print(p)
}

13. Trafność regresji oszacowana na podstawie miar R^2 i RMSE

Miary R^2 i RMSE dla liczby atomów

RMSE dla atomów: 2.187909810{-14}
R
2 dla atomów: 1

RMSE dla elektronów: 1.759844510{-13}
R
2 dla elektronów: 1

14. Klasyfikator

#inTraining <- createDataPartition(y = data_without_missing_val$res_name,p = .75,list = FALSE)
#training <- data_without_missing_val[ inTraining,]
#testing  <- data_without_missing_val[-inTraining,]
#ctrl <- trainControl(method = "repeatedcv",number = 2,repeats = 5)
#Class <- data_without_missing_val %>% select(res_name)
#fit <- train(res_name  ~ .,data = training,method = "rf",trControl = ctrl,ntree = 10)